N-[4-[2-(2,3-dichloroanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]butanamide

C24H22Cl2N2O2S — CID 23097051

IUPACN-[4-[2-(2,3-dichloroanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]butanamide
SMILESCCCC(=O)Nc1ccc(SC(C(=O)Nc2cccc(Cl)c2Cl)c2ccccc2)cc1
InChIInChI=1S/C24H22Cl2N2O2S/c1-2-7-21(29)27-17-12-14-18(15-13-17)31-23(16-8-4-3-5-9-16)24(30)28-20-11-6-10-19(25)22(20)26/h3-6,8-15,23H,2,7H2,1H3,(H,27,29)(H,28,30)
InChIKeyWTLJDFLCJYHYIF-UHFFFAOYSA-N
MW473.43 g/mol
LogP7.20
Rot. Bonds8

About N-[4-[2-(2,3-dichloroanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]butanamide

N-[4-[2-(2,3-dichloroanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]butanamide (PubChem CID 23097051) has the molecular formula C24H22Cl2N2O2S and a molecular weight of 473.43 g/mol. Its IUPAC name is N-[4-[2-(2,3-dichloroanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]butanamide.

Molecular Properties

Compound NameN-[4-[2-(2,3-dichloroanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]butanamide
PubChem CID23097051
Molecular FormulaC24H22Cl2N2O2S
Molecular Weight473.43 g/mol
Exact Mass472.08
IUPAC NameN-[4-[2-(2,3-dichloroanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]butanamide
SMILESCCCC(=O)Nc1ccc(SC(C(=O)Nc2cccc(Cl)c2Cl)c2ccccc2)cc1
InChIInChI=1S/C24H22Cl2N2O2S/c1-2-7-21(29)27-17-12-14-18(15-13-17)31-23(16-8-4-3-5-9-16)24(30)28-20-11-6-10-19(25)22(20)26/h3-6,8-15,23H,2,7H2,1H3,(H,27,29)(H,28,30)
InChIKeyWTLJDFLCJYHYIF-UHFFFAOYSA-N
XLogP7.20
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.43
LogP ≤ 57.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[2-(2,3-dichloroanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]pentanamide
CID 18903175
N-[4-[2-(2-methoxyanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]butanamide
CID 22780109
N-[3-[2-(3-chloro-2-methylanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]butanamide
CID 18901732
N-[4-[2-(4-chloroanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]pentanamide
CID 22782891
N-[4-[2-(3,4-dichloroanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]pentanamide
CID 23098739
N-[3-[2-(2-chloroanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]pentanamide
CID 18903168
4-[4-[1-(2,3-dichloroanilino)-1-oxopropan-2-yl]sulfanylanilino]-4-oxobutanoic acid
CID 22786254
N-[3-[2-(4-acetamidoanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]butanamide
CID 18901782
N-[4-[2-(2,4-dimethoxyanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]butanamide
CID 23095951
N-[4-[2-(2-ethoxyanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]pentanamide
CID 23095714
N-[3-[2-(3-chloroanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]butanamide
CID 18901729
4-[4-[2-(4-chloroanilino)-2-oxo-1-phenylethyl]sulfanylanilino]-4-oxobutanoic acid
CID 22786389

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(2,3-dichloroanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]butanamide?
The IUPAC name of N-[4-[2-(2,3-dichloroanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]butanamide (CID 23097051) is N-[4-[2-(2,3-dichloroanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]butanamide.
What is the SMILES notation for N-[4-[2-(2,3-dichloroanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]butanamide?
The canonical SMILES for N-[4-[2-(2,3-dichloroanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]butanamide is CCCC(=O)Nc1ccc(SC(C(=O)Nc2cccc(Cl)c2Cl)c2ccccc2)cc1.
What is the InChIKey of N-[4-[2-(2,3-dichloroanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]butanamide?
The InChIKey is WTLJDFLCJYHYIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22Cl2N2O2S/c1-2-7-21(29)27-17-12-14-18(15-13-17)31-23(16-8-4-3-5-9-16)24(30)28-20-11-6-10-19(25)22(20)26/h3-6,8-15,23H,2,7H2,1H3,(H,27,29)(H,28,30).
What are the key properties of N-[4-[2-(2,3-dichloroanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]butanamide?
N-[4-[2-(2,3-dichloroanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]butanamide has a molecular weight of 473.43 g/mol, XLogP of 7.20, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(2,3-dichloroanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]butanamide is sourced from PubChem (CID 23097051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).